1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone

C13H15N5O — CID 146126993

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
SMILESCc1nnnn1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C13H15N5O/c1-9-7-11-5-3-4-6-12(11)18(9)13(19)8-17-10(2)14-15-16-17/h3-6,9H,7-8H2,1-2H3
InChIKeyRRUWVBUGIPZUQK-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.96
Rot. Bonds2

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone (PubChem CID 146126993) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
PubChem CID146126993
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
SMILESCc1nnnn1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C13H15N5O/c1-9-7-11-5-3-4-6-12(11)18(9)13(19)8-17-10(2)14-15-16-17/h3-6,9H,7-8H2,1-2H3
InChIKeyRRUWVBUGIPZUQK-UHFFFAOYSA-N
XLogP0.96
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 154781578
2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 51188925
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-(1-ethyltetrazol-5-yl)sulfanyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 855242
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone
CID 41113449
(2S)-2-(1-ethyltetrazol-5-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 40927689
(2S)-2-(1-ethyltetrazol-5-yl)sulfanyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 40927691
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3198370
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 45147608
2-[5-(2-bromophenyl)tetrazol-2-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8794568

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone (CID 146126993) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone is Cc1nnnn1CC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone?
The InChIKey is RRUWVBUGIPZUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9-7-11-5-3-4-6-12(11)18(9)13(19)8-17-10(2)14-15-16-17/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone has a molecular weight of 257.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone is sourced from PubChem (CID 146126993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).